tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane

C76H56N12Si — CID 58803425

IUPACtetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane
SMILESCc1ccccc1-n1c(-c2ccc([Si](c3ccc(-c4nc5cccnc5n4-c4ccccc4C)cc3)(c3ccc(-c4nc5cccnc5n4-c4ccccc4C)cc3)c3ccc(-c4nc5cccnc5n4-c4ccccc4C)cc3)cc2)nc2cccnc21
InChIInChI=1S/C76H56N12Si/c1-49-17-5-9-25-65(49)85-69(81-61-21-13-45-77-73(61)85)53-29-37-57(38-30-53)89(58-39-31-54(32-40-58)70-82-62-22-14-46-78-74(62)86(70)66-26-10-6-18-50(66)2,59-41-33-55(34-42-59)71-83-63-23-15-47-79-75(63)87(71)67-27-11-7-19-51(67)3)60-43-35-56(36-44-60)72-84-64-24-16-48-80-76(64)88(72)68-28-12-8-20-52(68)4/h5-48H,1-4H3
InChIKeyHVDCKLZDZWWVMI-UHFFFAOYSA-N
MW1165.45 g/mol
LogP13.90
Rot. Bonds12

About tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane

tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane (PubChem CID 58803425) has the molecular formula C76H56N12Si and a molecular weight of 1165.45 g/mol. Its IUPAC name is tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane.

Molecular Properties

Compound Nametetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane
PubChem CID58803425
Molecular FormulaC76H56N12Si
Molecular Weight1165.45 g/mol
Exact Mass1164.45
IUPAC Nametetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane
SMILESCc1ccccc1-n1c(-c2ccc([Si](c3ccc(-c4nc5cccnc5n4-c4ccccc4C)cc3)(c3ccc(-c4nc5cccnc5n4-c4ccccc4C)cc3)c3ccc(-c4nc5cccnc5n4-c4ccccc4C)cc3)cc2)nc2cccnc21
InChIInChI=1S/C76H56N12Si/c1-49-17-5-9-25-65(49)85-69(81-61-21-13-45-77-73(61)85)53-29-37-57(38-30-53)89(58-39-31-54(32-40-58)70-82-62-22-14-46-78-74(62)86(70)66-26-10-6-18-50(66)2,59-41-33-55(34-42-59)71-83-63-23-15-47-79-75(63)87(71)67-27-11-7-19-51(67)3)60-43-35-56(36-44-60)72-84-64-24-16-48-80-76(64)88(72)68-28-12-8-20-52(68)4/h5-48H,1-4H3
InChIKeyHVDCKLZDZWWVMI-UHFFFAOYSA-N
XLogP13.90
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001165.45
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane?
The IUPAC name of tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane (CID 58803425) is tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane.
What is the SMILES notation for tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane?
The canonical SMILES for tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane is Cc1ccccc1-n1c(-c2ccc([Si](c3ccc(-c4nc5cccnc5n4-c4ccccc4C)cc3)(c3ccc(-c4nc5cccnc5n4-c4ccccc4C)cc3)c3ccc(-c4nc5cccnc5n4-c4ccccc4C)cc3)cc2)nc2cccnc21.
What is the InChIKey of tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane?
The InChIKey is HVDCKLZDZWWVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H56N12Si/c1-49-17-5-9-25-65(49)85-69(81-61-21-13-45-77-73(61)85)53-29-37-57(38-30-53)89(58-39-31-54(32-40-58)70-82-62-22-14-46-78-74(62)86(70)66-26-10-6-18-50(66)2,59-41-33-55(34-42-59)71-83-63-23-15-47-79-75(63)87(71)67-27-11-7-19-51(67)3)60-43-35-56(36-44-60)72-84-64-24-16-48-80-76(64)88(72)68-28-12-8-20-52(68)4/h5-48H,1-4H3.
What are the key properties of tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane?
tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane has a molecular weight of 1165.45 g/mol, XLogP of 13.90, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane is sourced from PubChem (CID 58803425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).